chempirical

9H-Fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate

C20H23NO3CAS 160885-98-3325.41 g/mol

Open in Covalent MOL file
HONHOO
Alcohol

Properties

Molecular formula
C20H23NO3
Molar mass
325.41 g/mol
Exact mass
325.1678 Da
Melting point
107–108 °C
logP
3.75Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
160885-98-3
SMILES
CC(C)[C@@H](CO)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
MYMGENAMKAPEMT-LJQANCHMSA-N
InChI
InChI=1S/C20H23NO3/c1-13(2)19(11-22)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)/t19-/m1/s1

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Names and synonyms

3 names
  • Carbamic acid, N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester
  • Carbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester, (S)-
  • Carbamic acid, [(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester

Work with 9H-Fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-L-valine68858-20-864 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-360 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-160 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-758 % similar Fmoc-leucine35661-60-056 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester73724-46-655 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-255 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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